(2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(dipropylamino)propan-1-one

C19H38N4O — CID 56747608

IUPAC(2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(dipropylamino)propan-1-one
SMILESCCCN(CCC)[C@@H](C)C(=O)N1CCC2(CC1)CN(C)CCN2C
InChIInChI=1S/C19H38N4O/c1-6-10-22(11-7-2)17(3)18(24)23-12-8-19(9-13-23)16-20(4)14-15-21(19)5/h17H,6-16H2,1-5H3/t17-/m0/s1
InChIKeyMBBVKZRPSNCBJO-KRWDZBQOSA-N
MW338.54 g/mol
LogP1.74
Rot. Bonds6

About (2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(dipropylamino)propan-1-one

(2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(dipropylamino)propan-1-one (PubChem CID 56747608) has the molecular formula C19H38N4O and a molecular weight of 338.54 g/mol. Its IUPAC name is (2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(dipropylamino)propan-1-one.

Molecular Properties

Compound Name(2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(dipropylamino)propan-1-one
PubChem CID56747608
Molecular FormulaC19H38N4O
Molecular Weight338.54 g/mol
Exact Mass338.30
IUPAC Name(2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(dipropylamino)propan-1-one
SMILESCCCN(CCC)[C@@H](C)C(=O)N1CCC2(CC1)CN(C)CCN2C
InChIInChI=1S/C19H38N4O/c1-6-10-22(11-7-2)17(3)18(24)23-12-8-19(9-13-23)16-20(4)14-15-21(19)5/h17H,6-16H2,1-5H3/t17-/m0/s1
InChIKeyMBBVKZRPSNCBJO-KRWDZBQOSA-N
XLogP1.74
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one
CID 56748789
ethyl (2S)-2-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)amino]propanoate
CID 95195401
2-(4-chloroanilino)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)butan-1-one
CID 56751131
N,N,4-trimethyl-1-propyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115239
1-ethyl-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 167202030
2-(2-butan-2-ylphenoxy)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)ethanone
CID 56754034
2-[2-[(2S)-butan-2-yl]phenoxy]-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)ethanone
CID 95216348
(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
CID 56745703
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 79662316
(2-butoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56747964
2-[cyclopropylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61441341
2-[bis(2-chloroethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 3064207

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(dipropylamino)propan-1-one?
The IUPAC name of (2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(dipropylamino)propan-1-one (CID 56747608) is (2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(dipropylamino)propan-1-one.
What is the SMILES notation for (2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(dipropylamino)propan-1-one?
The canonical SMILES for (2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(dipropylamino)propan-1-one is CCCN(CCC)[C@@H](C)C(=O)N1CCC2(CC1)CN(C)CCN2C.
What is the InChIKey of (2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(dipropylamino)propan-1-one?
The InChIKey is MBBVKZRPSNCBJO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H38N4O/c1-6-10-22(11-7-2)17(3)18(24)23-12-8-19(9-13-23)16-20(4)14-15-21(19)5/h17H,6-16H2,1-5H3/t17-/m0/s1.
What are the key properties of (2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(dipropylamino)propan-1-one?
(2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(dipropylamino)propan-1-one has a molecular weight of 338.54 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-(dipropylamino)propan-1-one is sourced from PubChem (CID 56747608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).