(2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide

C16H36N4O — CID 61163638

IUPAC(2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide
SMILESCN(C)CCCN(CCCN(C)C)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C16H36N4O/c1-16(2,3)14(17)15(21)20(12-8-10-18(4)5)13-9-11-19(6)7/h14H,8-13,17H2,1-7H3/t14-/m1/s1
InChIKeyOGZBGQYDOXXRSM-CQSZACIVSA-N
MW300.49 g/mol
LogP1.09
Rot. Bonds9

About (2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide

(2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide (PubChem CID 61163638) has the molecular formula C16H36N4O and a molecular weight of 300.49 g/mol. Its IUPAC name is (2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide
PubChem CID61163638
Molecular FormulaC16H36N4O
Molecular Weight300.49 g/mol
Exact Mass300.29
IUPAC Name(2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide
SMILESCN(C)CCCN(CCCN(C)C)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C16H36N4O/c1-16(2,3)14(17)15(21)20(12-8-10-18(4)5)13-9-11-19(6)7/h14H,8-13,17H2,1-7H3/t14-/m1/s1
InChIKeyOGZBGQYDOXXRSM-CQSZACIVSA-N
XLogP1.09
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
CID 104861744
3-amino-4-[bis[3-(dimethylamino)propyl]amino]-4-oxobutanoic acid
CID 64896902
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-butyl-3,3-dimethylbutanamide
CID 103929250
2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide
CID 76977906
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992823
(2R)-2-amino-N-ethyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 103929214
2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992838
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanamide
CID 102992755
2-amino-N,3,3-trimethylbutanehydrazide
CID 116848874
(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
CID 61154665
2-amino-N-[3-(dimethylamino)propyl]-3-methoxy-N-(2-methoxyethyl)propanamide
CID 81089239
2-amino-N-[3-(dimethylamino)propyl]-N,3-dimethylbutanamide
CID 63693134

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide (CID 61163638) is (2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide is CN(C)CCCN(CCCN(C)C)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide?
The InChIKey is OGZBGQYDOXXRSM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H36N4O/c1-16(2,3)14(17)15(21)20(12-8-10-18(4)5)13-9-11-19(6)7/h14H,8-13,17H2,1-7H3/t14-/m1/s1.
What are the key properties of (2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide has a molecular weight of 300.49 g/mol, XLogP of 1.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 61163638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).