1-[(4-methylpiperazin-1-yl)methyl]tricyclo[3.3.1.03,7]nonan-3-amine

C15H27N3 — CID 67017844

IUPAC1-[(4-methylpiperazin-1-yl)methyl]tricyclo[3.3.1.03,7]nonan-3-amine
SMILESCN1CCN(CC23CC4CC(C2)C(N)(C4)C3)CC1
InChIInChI=1S/C15H27N3/c1-17-2-4-18(5-3-17)11-14-7-12-6-13(9-14)15(16,8-12)10-14/h12-13H,2-11,16H2,1H3
InChIKeySQQYQNYXONNZNE-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.14
Rot. Bonds2

About 1-[(4-methylpiperazin-1-yl)methyl]tricyclo[3.3.1.03,7]nonan-3-amine

1-[(4-methylpiperazin-1-yl)methyl]tricyclo[3.3.1.03,7]nonan-3-amine (PubChem CID 67017844) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[(4-methylpiperazin-1-yl)methyl]tricyclo[3.3.1.03,7]nonan-3-amine.

Molecular Properties

Compound Name1-[(4-methylpiperazin-1-yl)methyl]tricyclo[3.3.1.03,7]nonan-3-amine
PubChem CID67017844
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-[(4-methylpiperazin-1-yl)methyl]tricyclo[3.3.1.03,7]nonan-3-amine
SMILESCN1CCN(CC23CC4CC(C2)C(N)(C4)C3)CC1
InChIInChI=1S/C15H27N3/c1-17-2-4-18(5-3-17)11-14-7-12-6-13(9-14)15(16,8-12)10-14/h12-13H,2-11,16H2,1H3
InChIKeySQQYQNYXONNZNE-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S,7S)-1-[(4-methylpiperazin-1-yl)methyl]adamantan-2-ol
CID 129452842
1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine
CID 59374967
[1-(1-adamantylmethyl)-4-methylpiperazin-2-yl]methanamine
CID 80507358
4-[(4-methylpiperazin-1-yl)methyl]tricyclo[4.3.1.03,8]decan-4-ol;hydrochloride
CID 90679205
1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
CID 28745435
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride
CID 2858113
1-[(3-fluoro-1-methylazetidin-3-yl)methyl]-4-methylpiperazine
CID 156559157
1-(1-adamantylmethyl)-N,4-dimethylpiperidin-4-amine
CID 115305138
2-(4-methylpiperazin-1-yl)-N-[[(3R,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methyl]acetamide
CID 22489803
4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol
CID 84734865
1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine
CID 59049794

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperazin-1-yl)methyl]tricyclo[3.3.1.03,7]nonan-3-amine?
The IUPAC name of 1-[(4-methylpiperazin-1-yl)methyl]tricyclo[3.3.1.03,7]nonan-3-amine (CID 67017844) is 1-[(4-methylpiperazin-1-yl)methyl]tricyclo[3.3.1.03,7]nonan-3-amine.
What is the SMILES notation for 1-[(4-methylpiperazin-1-yl)methyl]tricyclo[3.3.1.03,7]nonan-3-amine?
The canonical SMILES for 1-[(4-methylpiperazin-1-yl)methyl]tricyclo[3.3.1.03,7]nonan-3-amine is CN1CCN(CC23CC4CC(C2)C(N)(C4)C3)CC1.
What is the InChIKey of 1-[(4-methylpiperazin-1-yl)methyl]tricyclo[3.3.1.03,7]nonan-3-amine?
The InChIKey is SQQYQNYXONNZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-17-2-4-18(5-3-17)11-14-7-12-6-13(9-14)15(16,8-12)10-14/h12-13H,2-11,16H2,1H3.
What are the key properties of 1-[(4-methylpiperazin-1-yl)methyl]tricyclo[3.3.1.03,7]nonan-3-amine?
1-[(4-methylpiperazin-1-yl)methyl]tricyclo[3.3.1.03,7]nonan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperazin-1-yl)methyl]tricyclo[3.3.1.03,7]nonan-3-amine is sourced from PubChem (CID 67017844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).