N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine

C8H17N — CID 93261342

IUPACN-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine
SMILESCCCNC[C@@H]1C[C@@H]1C
InChIInChI=1S/C8H17N/c1-3-4-9-6-8-5-7(8)2/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyCCNVZOFZCFBKQX-YUMQZZPRSA-N
MW127.23 g/mol
LogP1.64
Rot. Bonds4

About N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine

N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine (PubChem CID 93261342) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine
PubChem CID93261342
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine
SMILESCCCNC[C@@H]1C[C@@H]1C
InChIInChI=1S/C8H17N/c1-3-4-9-6-8-5-7(8)2/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyCCNVZOFZCFBKQX-YUMQZZPRSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Diisoamylamine
CID 10988
SL-11093
CID 490686
N-ethyl-N'-[[2-[[3-(ethylamino)propylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine
CID 9888124
N-ethyl-N'-[[2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine;hydrochloride
CID 45263467
1-Butanamine, 2-methyl-N-(2-methylbutyl)-
CID 12418701
N-(2-Methylbutyl)pentan-1-amine
CID 43200840
1,4-Butanediamine, N-isopentyl-
CID 56229
1,5-Pentanediamine, N-(3-methylbutyl)-, dihydrochloride
CID 204874
N-(3-methylbutyl)pentane-1,5-diamine
CID 204875
1-Hexanamine, N-(2-methylpropyl)-
CID 10464570
N-ethyl-N'-[[(1S,2R)-2-[[4-(ethylamino)butylamino]methyl]cyclopropyl]methyl]butane-1,4-diamine
CID 490685
(2-Cyclopropylethyl)(ethyl)amine
CID 21916182

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine (CID 93261342) is N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine is CCCNC[C@@H]1C[C@@H]1C.
What is the InChIKey of N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine?
The InChIKey is CCNVZOFZCFBKQX-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17N/c1-3-4-9-6-8-5-7(8)2/h7-9H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine?
N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 93261342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).