N-(3-propoxypropyl)butan-2-amine

C10H23NO — CID 62715458

IUPACN-(3-propoxypropyl)butan-2-amine
SMILESCCCOCCCNC(C)CC
InChIInChI=1S/C10H23NO/c1-4-8-12-9-6-7-11-10(3)5-2/h10-11H,4-9H2,1-3H3
InChIKeySZABWRIIBKSVQK-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.19
Rot. Bonds8

About N-(3-propoxypropyl)butan-2-amine

N-(3-propoxypropyl)butan-2-amine (PubChem CID 62715458) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-(3-propoxypropyl)butan-2-amine.

Molecular Properties

Compound NameN-(3-propoxypropyl)butan-2-amine
PubChem CID62715458
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-(3-propoxypropyl)butan-2-amine
SMILESCCCOCCCNC(C)CC
InChIInChI=1S/C10H23NO/c1-4-8-12-9-6-7-11-10(3)5-2/h10-11H,4-9H2,1-3H3
InChIKeySZABWRIIBKSVQK-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-propoxypropyl)pentan-2-amine
CID 82940850
N-(3-ethoxypropyl)butan-2-amine
CID 43196213
N-[3-(cyclopropylmethoxy)propyl]butan-2-amine
CID 43206788
N-butan-2-yldodecan-1-amine
CID 63489622
N-butan-2-ylundecan-1-amine
CID 151961423
N-[2-(2-ethoxyethoxy)ethyl]butan-2-amine
CID 62565963
N-(3-butoxypropyl)-2-methylpentan-3-amine
CID 115704440
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-propoxypropan-1-amine
CID 82942170
N-[(2S)-butan-2-yl]-4-(4-propoxyphenoxy)butan-1-amine
CID 2183457
4-[3-(3-propoxypropylamino)butyl]phenol
CID 82941031
2-methyl-N-[3-(2-propoxyethoxy)propyl]propan-1-amine
CID 63684721
N-(3-fluoropropyl)butan-2-amine
CID 81107286

Frequently Asked Questions

What is the IUPAC name of N-(3-propoxypropyl)butan-2-amine?
The IUPAC name of N-(3-propoxypropyl)butan-2-amine (CID 62715458) is N-(3-propoxypropyl)butan-2-amine.
What is the SMILES notation for N-(3-propoxypropyl)butan-2-amine?
The canonical SMILES for N-(3-propoxypropyl)butan-2-amine is CCCOCCCNC(C)CC.
What is the InChIKey of N-(3-propoxypropyl)butan-2-amine?
The InChIKey is SZABWRIIBKSVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-8-12-9-6-7-11-10(3)5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of N-(3-propoxypropyl)butan-2-amine?
N-(3-propoxypropyl)butan-2-amine has a molecular weight of 173.30 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propoxypropyl)butan-2-amine is sourced from PubChem (CID 62715458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).