(2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine

C14H28N2 — CID 104867674

IUPAC(2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine
SMILESC[C@@H](CN)NCC1CCC2CCCCC2C1
InChIInChI=1S/C14H28N2/c1-11(9-15)16-10-12-6-7-13-4-2-3-5-14(13)8-12/h11-14,16H,2-10,15H2,1H3/t11-,12?,13?,14?/m0/s1
InChIKeyUYESNLILQONSBK-YWLNHKIPSA-N
MW224.39 g/mol
LogP2.53
Rot. Bonds4

About (2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine

(2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine (PubChem CID 104867674) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine
PubChem CID104867674
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine
SMILESC[C@@H](CN)NCC1CCC2CCCCC2C1
InChIInChI=1S/C14H28N2/c1-11(9-15)16-10-12-6-7-13-4-2-3-5-14(13)8-12/h11-14,16H,2-10,15H2,1H3/t11-,12?,13?,14?/m0/s1
InChIKeyUYESNLILQONSBK-YWLNHKIPSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(4-ethylcyclohexyl)methyl]propane-1,2-diamine
CID 103389347
(2S)-2-N-(7-bicyclo[4.1.0]heptanylmethyl)propane-1,2-diamine
CID 104867892
2-N-(thian-4-ylmethyl)propane-1,2-diamine
CID 103391033
2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine
CID 118876014
(3-cyclohexylcyclopentyl)methanamine
CID 83636273
(2S)-2-N-[(4,4-difluorocyclohexyl)methyl]propane-1,2-diamine
CID 104867709
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanamine
CID 83906617
(2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine
CID 104867949
(2R)-N-[[3-[4-(aminomethyl)cyclohexyl]cyclohexyl]methyl]-1-[4-(4-chlorocyclohexyl)piperidin-1-yl]-3-methylbutan-2-amine;trihydrate
CID 161273867
(3-ethylcyclopentyl)cyclohexane
CID 142208206
1-(3-cyclopentylcyclooctyl)-N-methylmethanamine;methane
CID 173093109
(3S)-3-[[(8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methyl]pentan-2-amine
CID 71228058

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of (2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine (CID 104867674) is (2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for (2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine is C[C@@H](CN)NCC1CCC2CCCCC2C1.
What is the InChIKey of (2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine?
The InChIKey is UYESNLILQONSBK-YWLNHKIPSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(9-15)16-10-12-6-7-13-4-2-3-5-14(13)8-12/h11-14,16H,2-10,15H2,1H3/t11-,12?,13?,14?/m0/s1.
What are the key properties of (2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine?
(2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 104867674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).